4-(butylamino)-3-[[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide

Systemtic Name: 4-(butylamino)-3-[[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide Openeye Name: 4-(butylamino)-3-[[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]amino]benzenesulfonamide CAS Name: 4-(butylamino)-3-[[(E)-2-cyano-2-(4-methyl-2-thiazolyl)ethenyl]amino]benzenesulfonamide IUPAC Name: 4-(butylamino)-3-[[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide Traditional Name: 4-(butylamino)-3-[[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]amino]benzenesulfonamide Formula: C17H21N5O2S2 MolecularWeight: 391.51094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N)NC=C(C#N)C2=NC(=CS2)C

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N)N/C=C(\C#N)/C2=NC(=CS2)C

InChI

InChI=1S/C17H21N5O2S2/c1-3-4-7-20-15-6-5-14(26(19,23)24)8-16(15)21-10-13(9-18)17-22-12(2)11-25-17/h5-6,8,10-11,20-21H,3-4,7H2,1-2H3,(H2,19,23,24)/b13-10+